Strong, Yet Split Hydrogen Bonding with Ice Rules in Delafossite (H/D)RhO2
Matthew A Wright1,2, Anya S Mulligan1,2, Dibyata Rout1
1Materials Department, University of California, Santa Barbara, CA, USA.
Angewandte Chemie (International Ed. in English)
|November 4, 2025
Summary
Strong hydrogen bonds in 3R-(H/D)RhO2 delafossites offer material design opportunities. These bonds link layers and exhibit ice-like disorder, confirmed by multiple analyses.
Area of Science:
- Materials Science
- Solid-State Chemistry
- Crystallography
Background:
- Strong hydrogen bonding is crucial for designing functional materials.
- Delafossite oxides offer a versatile platform for exploring hydrogen bonding interactions.
Purpose of the Study:
- To investigate the nature of hydrogen bonding in 3R-(H/D)RhO2 delafossites.
- To understand how hydrogen bonding influences the structure and properties of these materials.
Main Methods:
- Synthesis of 3R-(H/D)RhO2 delafossites via ion exchange.
- X-ray and neutron scattering (Bragg and real-space).
- Vibrational and solid-state NMR spectroscopy.
- Density functional theory (DFT) calculations.
- Low-temperature heat capacity measurements.
Main Results:
- Established a clear double-minimum potential for H/D atoms, indicating asymmetric bonding.
- Observed ice-like disorder in the triangular lattices formed by H/D atoms.
- Corroborated findings through a combination of experimental and computational techniques.
Conclusions:
- Hydrogen bonding in 3R-(H/D)RhO2 delafossites is strong and asymmetric.
- The observed disorder impacts the material's properties.
- These findings provide insights for designing novel functional materials based on hydrogen bonding.
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